1-cyclopropyl-N-(4-methyl-2-propoxyphenyl)pyrrolidin-3-amine

C17H26N2O — CID 62981319

IUPAC1-cyclopropyl-N-(4-methyl-2-propoxyphenyl)pyrrolidin-3-amine
SMILESCCCOc1cc(C)ccc1NC1CCN(C2CC2)C1
InChIInChI=1S/C17H26N2O/c1-3-10-20-17-11-13(2)4-7-16(17)18-14-8-9-19(12-14)15-5-6-15/h4,7,11,14-15,18H,3,5-6,8-10,12H2,1-2H3
InChIKeyIWOBYRNXDUEQFU-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.43
Rot. Bonds6

About 1-cyclopropyl-N-(4-methyl-2-propoxyphenyl)pyrrolidin-3-amine

1-cyclopropyl-N-(4-methyl-2-propoxyphenyl)pyrrolidin-3-amine (PubChem CID 62981319) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-cyclopropyl-N-(4-methyl-2-propoxyphenyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-(4-methyl-2-propoxyphenyl)pyrrolidin-3-amine
PubChem CID62981319
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-cyclopropyl-N-(4-methyl-2-propoxyphenyl)pyrrolidin-3-amine
SMILESCCCOc1cc(C)ccc1NC1CCN(C2CC2)C1
InChIInChI=1S/C17H26N2O/c1-3-10-20-17-11-13(2)4-7-16(17)18-14-8-9-19(12-14)15-5-6-15/h4,7,11,14-15,18H,3,5-6,8-10,12H2,1-2H3
InChIKeyIWOBYRNXDUEQFU-UHFFFAOYSA-N
XLogP3.43
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-methyl-2-propoxyanilino)piperidin-1-yl]ethanone
CID 60935911
1-cyclopropyl-N-(2-methoxy-5-methylphenyl)pyrrolidin-3-amine
CID 55139647
N-(3,5-dimethylcyclohexyl)-4-methyl-2-propoxyaniline
CID 64753195
4-methyl-N-(3-propan-2-ylcyclobutyl)-2-propoxyaniline
CID 103561671
N-(3-ethylcyclopentyl)-4-methyl-2-propoxyaniline
CID 64501327
4,4-dimethyl-N-(4-methyl-2-propoxyphenyl)cycloheptan-1-amine
CID 65083053
4-ethyl-N-(4-methyl-2-propoxyphenyl)cycloheptan-1-amine
CID 65083052
4-methyl-N-(2-methylcyclopentyl)-2-propoxyaniline
CID 65045783
N-[2-(2-methoxyethoxy)-4-methylphenyl]cycloheptanamine
CID 60934945
1-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]pyrrolidin-3-amine
CID 62982691
N-[2-(2-methoxyethoxy)-4-methylphenyl]-1,1-dioxothian-4-amine
CID 60934699
N-(4-methyl-2-propoxyphenyl)propane-1-sulfonamide
CID 61063068

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(4-methyl-2-propoxyphenyl)pyrrolidin-3-amine?
The IUPAC name of 1-cyclopropyl-N-(4-methyl-2-propoxyphenyl)pyrrolidin-3-amine (CID 62981319) is 1-cyclopropyl-N-(4-methyl-2-propoxyphenyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-cyclopropyl-N-(4-methyl-2-propoxyphenyl)pyrrolidin-3-amine?
The canonical SMILES for 1-cyclopropyl-N-(4-methyl-2-propoxyphenyl)pyrrolidin-3-amine is CCCOc1cc(C)ccc1NC1CCN(C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-N-(4-methyl-2-propoxyphenyl)pyrrolidin-3-amine?
The InChIKey is IWOBYRNXDUEQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-3-10-20-17-11-13(2)4-7-16(17)18-14-8-9-19(12-14)15-5-6-15/h4,7,11,14-15,18H,3,5-6,8-10,12H2,1-2H3.
What are the key properties of 1-cyclopropyl-N-(4-methyl-2-propoxyphenyl)pyrrolidin-3-amine?
1-cyclopropyl-N-(4-methyl-2-propoxyphenyl)pyrrolidin-3-amine has a molecular weight of 274.41 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(4-methyl-2-propoxyphenyl)pyrrolidin-3-amine is sourced from PubChem (CID 62981319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).